(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide

C20H30N6O2 — CID 124944516

IUPAC(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide
SMILESCCn1ccc(C(=O)N2CCCC[C@@]2(C)C(=O)NCCn2nc(C)cc2C)n1
InChIInChI=1S/C20H30N6O2/c1-5-24-12-8-17(23-24)18(27)25-11-7-6-9-20(25,4)19(28)21-10-13-26-16(3)14-15(2)22-26/h8,12,14H,5-7,9-11,13H2,1-4H3,(H,21,28)/t20-/m0/s1
InChIKeyBKHUPLVSMATRKY-FQEVSTJZSA-N
MW386.50 g/mol
LogP1.92
Rot. Bonds6

About (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide

(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide (PubChem CID 124944516) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide
PubChem CID124944516
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide
SMILESCCn1ccc(C(=O)N2CCCC[C@@]2(C)C(=O)NCCn2nc(C)cc2C)n1
InChIInChI=1S/C20H30N6O2/c1-5-24-12-8-17(23-24)18(27)25-11-7-6-9-20(25,4)19(28)21-10-13-26-16(3)14-15(2)22-26/h8,12,14H,5-7,9-11,13H2,1-4H3,(H,21,28)/t20-/m0/s1
InChIKeyBKHUPLVSMATRKY-FQEVSTJZSA-N
XLogP1.92
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide with MolForge

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Related Compounds

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CID 92632361
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1-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
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CID 129455075
methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
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CID 82110482
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CID 125023247
(2R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023248
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
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2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide (CID 124944516) is (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide is CCn1ccc(C(=O)N2CCCC[C@@]2(C)C(=O)NCCn2nc(C)cc2C)n1.
What is the InChIKey of (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is BKHUPLVSMATRKY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-5-24-12-8-17(23-24)18(27)25-11-7-6-9-20(25,4)19(28)21-10-13-26-16(3)14-15(2)22-26/h8,12,14H,5-7,9-11,13H2,1-4H3,(H,21,28)/t20-/m0/s1.
What are the key properties of (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide?
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 124944516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).